3-(2,6-dichlorophenyl)-5-[(E)-2-(2,4-difluoroanilino)ethenyl]-1,2-oxazole-4-carbonitrile

Formula:C18H9N3OCl2F2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-(2,6-dichlorophenyl)-5-[(E)-2-(2,4-difluoroanilino)ethenyl]-1,2-oxazole-4-carbonitrile is a drug-like molecule.

MolName	3-(2,6-dichlorophenyl)-5-[(E)-2-(2,4-difluoroanilino)ethenyl]-1,2-oxazole-4-carbonitrile
MolecularFormula	C18H9N3OCl2F2
Smiles	N#Cc1c(/C=C/Nc(ccc(F)c2)c2F)onc1-c(c(Cl)ccc1)c1Cl
InChI	InChI=1S/C18H9Cl2F2N3O/c19-12-2-1-3-13(20)17(12)18-11(9-23)16(26-25-18)6-7-24-15-5-4-10(21)8-14(15)22/h1-8,24H
InChIK	RMOILXCEWVVXHG-UHFFFAOYSA-N
TotalMolweight	392.191
Molweight	392.191
MonoisotopicMass	391.009072
CLogP	4.501
CLogS	-7.47
H Acceptors	4
H Donors	1
TotalSurfaceArea	284.44
Relative PSA	0.17614
PolarSurfaceArea	61.85
Druglikeness	-4.0909
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Symmetricatoms	3
Aromatic Nitrogens	1
StereoCon

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1 - 3-(2,6-dichlorophenyl)-5-[(E)-2-(2,4-difluoroanilino)ethenyl]-1,2-oxazole-4-carbonitrile | 2 - 3-(2,6-dichlorophenyl)-5-[(E)-2-(2,4-difluoroanilino)ethenyl]-1,2-oxazole-4-carbonitrile

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